Detailed information for compound 256482

Basic information

Technical information
  • TDR Targets ID: 256482
  • Name: 3-aminopropane-1-sulfonic acid
  • MW: 139.173 | Formula: C3H9NO3S
  • H donors: 2 H acceptors: 3 LogP: -3.75 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCS(=O)(=O)O
  • InChi: 1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)
  • InChiKey: SNKZJIOFVMKAOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-amino-1-propanesulfonic acid
  • 3-azanylpropane-1-sulfonic acid
  • 3-azaniumylpropane-1-sulfonate
  • 3-ammonio-1-propanesulfonate
  • 3-ammoniopropane-1-sulfonate
  • homotaurine
  • alzhemed
  • NC 758
  • 3687-18-1
  • 1-Propanesulfonic acid, 3-amino-
  • 3-Aminopropanesulphonic acid
  • NSC77071
  • DivK1c_000348
  • Spectrum4_001023
  • NINDS_000348
  • AIDS-125587
  • AIDS125587
  • 3-Aminopropanesulfonate
  • C03349
  • KBioSS_001820
  • Spectrum_001340
  • 3-APS
  • KBio1_000348
  • Cerebril
  • NC-531
  • KBio2_001820
  • KBio2_004388
  • KBio3_001928
  • KBio2_006956
  • SPBio_001458
  • Spectrum2_001409
  • 1-Propanesulfonic acid, 3-amino- (8CI)(9CI)
  • 3-Aminopropane sulfonic acid
  • 3-Aminopropane-1-sulphonic acid
  • AI3-52544
  • EINECS 222-977-4
  • NC-758
  • NSC 77071
  • Tramiprosate
  • Spectrum3_000924
  • A76109_ALDRICH
  • D06202
  • Tramiprosate (USAN)
  • NCGC00094904-01
  • NCGC00094904-02
  • KBioGR_001545
  • MLS000028639
  • SMR000059181
  • SPECTRUM1501125
  • ZINC01529636

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus GABA-A receptor; anion channel Starlite/ChEMBL No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Rattus norvegicus GABA B receptor Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 Get druggable targets OG5_132263 All targets in OG5_132263
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi metabotropic GABA-B receptor subtype 2 Get druggable targets OG5_132263 All targets in OG5_132263
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Gamma-aminobutyric acid receptor subunit beta homolog GABA-A receptor; anion channel   467 aa 433 aa 34.6 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 494 aa 25.5 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Echinococcus granulosus glycine receptor subunit alpha 1 GABA-A receptor; anion channel   467 aa 430 aa 32.3 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 441 aa 33.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 446 aa 29.1 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 435 aa 29.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 375 aa 21.9 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Onchocerca volvulus Eukaryotic initiation factor 4A-III homolog GABA-A receptor; anion channel   467 aa 453 aa 26.9 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 454 aa 30.4 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Echinococcus multilocularis glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 478 aa 28.7 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Brugia malayi Cation transporter family protein GABA-A receptor; anion channel   467 aa 453 aa 28.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit GABA-A receptor; anion channel   467 aa 379 aa 19.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Onchocerca volvulus Large subunit GTPase 1 homolog GABA-A receptor; anion channel   467 aa 496 aa 26.0 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 446 aa 28.0 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Echinococcus multilocularis glycine receptor subunit alpha 1 GABA-A receptor; anion channel   467 aa 430 aa 32.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 434 aa 26.7 %
Echinococcus granulosus glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 439 aa 29.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Schistosoma mansoni Cys-loop ligand gated ion channel subunit GABA-A receptor; anion channel   467 aa 479 aa 29.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 447 aa 25.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 468 aa 28.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 454 aa 29.5 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative GABA-A receptor; anion channel   467 aa 384 aa 19.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 461 aa 27.8 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog GABA-A receptor; anion channel   467 aa 418 aa 19.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0836 0.2985
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2497 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.2497 0.2497
Brugia malayi glutathione reductase 0.0057 0.0836 0.0836
Echinococcus multilocularis glycine receptor subunit beta 0.0023 0.0063 0.0063
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0836 0.0836
Leishmania major 0.0466 1 1
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0351 1
Echinococcus multilocularis 0.0045 0.056 0.056
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.0063 0.0063
Schistosoma mansoni nAChR subunit 0.0023 0.0063 0.0063
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0351 0.0351
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.0063 0.0063
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.0063 0.0063
Schistosoma mansoni nAChR subunit 0.0023 0.0063 0.0063
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0023 0.0063 0.0063
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0351 0.4201
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0351 0.4201
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0836 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0063 0.0063
Schistosoma mansoni nAChR subunit 0.0023 0.0063 0.0063
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0173 0.344 0.344
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0023 0.0063 0.0063
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.0063 0.0063
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0466 1 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0023 0.0063 0.0063
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.2474 0.8837
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0023 0.0063 0.0063
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0466 1 1
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0466 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0836 0.0836
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0023 0.0063 0.0063
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.2497 0.2497
Brugia malayi 6-phosphofructokinase 0.0131 0.2497 0.2497
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.2497 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0351 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0063 0.0063
Toxoplasma gondii fructose-bisphospatase II 0.0466 1 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0023 0.0063 0.0063
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0023 0.0063 0.0063
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.2497 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0145 0.2797 0.2751
Toxoplasma gondii fructose-bisphospatase I 0.0173 0.344 0.344
Schistosoma mansoni tyrosine kinase 0.0078 0.1298 0.1298
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.2497 1
Toxoplasma gondii thioredoxin reductase 0.0057 0.0836 0.0836
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0023 0.0063 0.0063
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0046 0.0592 0.0592
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0 0.5
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0226 0.4616 0.4616
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0023 0.0063 0.0063
Echinococcus granulosus epidermal growth factor receptor 0.0078 0.1298 0.1298
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.2474 0.8837
Echinococcus multilocularis epidermal growth factor receptor 0.0145 0.2797 0.2797
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0351 0.1406
Onchocerca volvulus Putative nachr subunit 0.0023 0.0063 0.5
Echinococcus granulosus nAChR subunit 0.0023 0.0063 0.0063
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0023 0.0063 0.0063
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0023 0.0063 0.0063
Schistosoma mansoni nAChR subunit 0.0023 0.0063 0.0063
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0023 0.0063 0.0063
Echinococcus granulosus insulin receptor 0.0046 0.0592 0.0592
Schistosoma mansoni nAChR subunit 0.0023 0.0063 0.0063
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0466 1 1
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.2497 1
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0351 0.0351
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0023 0.0063 0.0063
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.28 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.2497 0.0695
Loa Loa (eye worm) phosphofructokinase 0.0131 0.2497 0.245
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0023 0.0063 0.0063
Schistosoma mansoni tyrosine kinase 0.0077 0.1279 0.1279
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0046 0.0592 0.0592
Mycobacterium tuberculosis Probable reductase 0.013 0.2474 0.8837
Brugia malayi Cation transporter family protein 0.0023 0.0063 0.0063
Trypanosoma brucei trypanothione reductase 0.0057 0.0836 0.0836
Leishmania major trypanothione reductase 0.0057 0.0836 0.0836
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0466 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0063 0.0063
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0351 0.1406
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0023 0.0063 0.0063
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0466 1 1
Brugia malayi 6-phosphofructokinase 0.0131 0.2497 0.2497
Echinococcus multilocularis insulin receptor 0.0046 0.0592 0.0592
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.2497 0.245
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.2497 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0046 0.0592 0.0533
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0063 0.0063
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2497 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0023 0.0063 0.0063
Schistosoma mansoni tyrosine kinase 0.0077 0.1279 0.1279
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0063 0.0063
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0836 0.0836
Schistosoma mansoni tyrosine kinase 0.0078 0.1298 0.1298
Brugia malayi excitatory GABA receptor EXP-1A 0.0023 0.0063 0.0063
Brugia malayi phosphofructokinase 0.0131 0.2497 0.2497
Onchocerca volvulus 0.0023 0.0063 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0145 0.2797 0.2797
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0023 0.0063 0.0063
Loa Loa (eye worm) glutathione reductase 0.0057 0.0836 0.0778
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2497 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0023 0.0063 0.0063
Echinococcus multilocularis epidermal growth factor receptor 0.0078 0.1298 0.1298
Echinococcus multilocularis glycine receptor subunit beta 0.0023 0.0063 0.0063
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0063 0.0063
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.2497 0.245
Schistosoma mansoni nAChR subunit 0.0023 0.0063 0.0063
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0046 0.0592 0.0592
Brugia malayi Furin-like cysteine rich region family protein 0.0145 0.2797 0.2797
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0836 0.0778
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.2497 0.2497
Plasmodium falciparum glutathione reductase 0.0057 0.0836 1
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.2497 0.2497
Onchocerca volvulus 0.0023 0.0063 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.28 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.0063 0.0063
Onchocerca volvulus 0.0023 0.0063 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0063 0.0063
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.2474 0.8837
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0173 0.344 0.344
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0023 0.0063 0.0063
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0466 1 1
Schistosoma mansoni nAChR subunit 0.0023 0.0063 0.0063
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0351 0.0351
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0232 0.4745 0.4712
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0351 0.4201
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0063 0.0063
Plasmodium falciparum thioredoxin reductase 0.0057 0.0836 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0063 0.0063
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0023 0.0063 0.0063
Brugia malayi Cation transporter family protein 0.0023 0.0063 0.0063
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0173 0.344 0.344
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.0063 0.0063
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0351 0.1406
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0351 0.1406
Onchocerca volvulus 0.0023 0.0063 0.5
Echinococcus granulosus glycine receptor subunit beta 0.0023 0.0063 0.0063
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0023 0.0063 0.0063
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.0063 0.0063
Onchocerca volvulus 0.0023 0.0063 0.5
Onchocerca volvulus 0.0023 0.0063 0.5
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0351 1
Brugia malayi Cation transporter family protein 0.0023 0.0063 0.0063
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.2474 0.8837
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0078 0.1298 0.1298
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0351 0.1406
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.2497 0.2497
Schistosoma mansoni tyrosine kinase 0.0046 0.0592 0.0592
Echinococcus granulosus glycine receptor subunit beta 0.0023 0.0063 0.0063
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.28 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.2497 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.2474 0.8837
Echinococcus multilocularis nAChR subunit 0.0023 0.0063 0.0063
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0023 0.0063 0.0063
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0023 0.0063 0.0063
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.2497 0.2497
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0173 0.344 0.344
Schistosoma mansoni tyrosine kinase 0.0077 0.1279 0.1279
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.2497 0.8918
Plasmodium vivax glutathione reductase, putative 0.0057 0.0836 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.0063 0.0063
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.28 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0023 0.0063 0.0063
Schistosoma mansoni tyrosine kinase 0.0046 0.0592 0.0592
Schistosoma mansoni tyrosine kinase 0.0145 0.2797 0.2797
Brugia malayi Thioredoxin reductase 0.0057 0.0836 0.0836
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0351 0.1406
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.0351 0.1406
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0351 0.1406
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.2497 0.2497
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0023 0.0063 0.0063
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.0063 0.0063
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0351 0.4201

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 67.3 % Cognitive enhancing effect in amyloid beta (1-42) infused ICR mouse assessed as increase in alternation behavior at 30 mg/kg/day, ip administered 1 day prior to amyloid beta (1-42) infusion and continued for 6 days measured on day 6 by Y-maze test (Rvb = 64.1%) ChEMBL. 23601707
IC50 (binding) Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by scintillation proximity assay LITERATURE. 27687671
IC50 (functional) 0 uM Compound was tested for its effect on EFS stimulated neuronal cholinergic contractions of guinea pig tracheal rings after 10 minutes;not tested ChEMBL. No reference
IC50 (binding) = 0.3 uM Binding affinity against Gamma-aminobutyric-acid A receptor in rat brain synaptosomes after 30 minutes ChEMBL. No reference
IC50 (binding) = 0.3 uM Binding affinity against Gamma-aminobutyric-acid A receptor in rat brain synaptosomes after 30 minutes ChEMBL. No reference
IC50 (binding) = 2 uM In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes ChEMBL. No reference
IC50 (binding) = 2 uM In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes ChEMBL. No reference
IC50 (binding) = 30 uM Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes ChEMBL. No reference
IC50 (binding) = 30 uM Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes ChEMBL. No reference
IC50 (binding) = 100 uM Inhibition of amyloid beta (1 to 42) aggregation (unknown origin) at 4:1 compound to protein concentration after 48 hrs by thioflavin T fluorescence assay ChEMBL. 23484434
Inhibition (functional) 0 % Inhibitory effect on bronchospasm caused by vagal nerve stimulation (EFS) in anesthetized, mechanically ventilated guinea-pigs at 3 mg/kg after 10 minutes;not tested ChEMBL. No reference
Inhibition (binding) = 18 % Inhibition of human ERG in HEK293 cells at 10 uM by patch clamp assay relative to control ChEMBL. 23601707
Ki (binding) Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis LITERATURE. 27687671
Ki (binding) = 7.1 mM Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting ChEMBL. 21955456
pKi (binding) = -0.85 mM Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting ChEMBL. 21955456
Potency (functional) 0.012 uM PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 11.5774 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 13.3714 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771, AID488772] ChEMBL. No reference
Potency (functional) 13.3714 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: Validation screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493143, AID504466] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

4 literature references were collected for this gene.

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